Geometry & MOs

Info

ID:	275422
PubChem CID:	103815871
Reduced:	SN2O2C11H22 (1)
Stoich.:	AB2C2D11E22 (1)
Weight, g/mol:	309.16079
ΔH_f, kcal/mol:	-100.83
Dipole, Da:	4.57
IP(EA), eV:	-9.03(0.95)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[1-(4-chlorophenyl)propan-2-yl-methylamino]-1-piperazin-1-ylethanone

Drug info:

PubChemData

Smile

CC1CS(=O)(=O)CCN1CC2CCNCC2

DOS

IR

Vibrations